Geometry & MOs

Info

ID:	433266
PubChem CID:	135173403
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	594.180061
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	7.44
IP(EA), eV:	-8.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S,13R)-4-acetyl-12,13-bis(4-chlorophenyl)-6-methoxy-9-methyl-8-propan-2-yloxy-1,4,11,14-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),7,10-trien-15-one

Drug info:

PubChemData

Smile

CNC1=C(C(=O)C1=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations